3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane

C22H28N2O — CID 90214485

IUPAC3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane
SMILESCc1ccc(-c2ccc(OC3CC4CCCN(CCC4)C3)cn2)cc1
InChIInChI=1S/C22H28N2O/c1-17-6-8-19(9-7-17)22-11-10-20(15-23-22)25-21-14-18-4-2-12-24(16-21)13-3-5-18/h6-11,15,18,21H,2-5,12-14,16H2,1H3
InChIKeyUQLVEUTZMTZMAA-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.70
Rot. Bonds3

About 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane

3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane (PubChem CID 90214485) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane
PubChem CID90214485
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane
SMILESCc1ccc(-c2ccc(OC3CC4CCCN(CCC4)C3)cn2)cc1
InChIInChI=1S/C22H28N2O/c1-17-6-8-19(9-7-17)22-11-10-20(15-23-22)25-21-14-18-4-2-12-24(16-21)13-3-5-18/h6-11,15,18,21H,2-5,12-14,16H2,1H3
InChIKeyUQLVEUTZMTZMAA-UHFFFAOYSA-N
XLogP4.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
CID 11594725
N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
CID 166814790
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
3-[[6-(2-chloro-4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
CID 68809585
(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane
CID 68809563
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832
5-(1-methylpyrrolidin-3-yl)oxypyridin-2-amine
CID 130834078
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
CID 59790923
2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol
CID 134555241
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane?
The IUPAC name of 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane (CID 90214485) is 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane.
What is the SMILES notation for 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane?
The canonical SMILES for 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane is Cc1ccc(-c2ccc(OC3CC4CCCN(CCC4)C3)cn2)cc1.
What is the InChIKey of 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane?
The InChIKey is UQLVEUTZMTZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-6-8-19(9-7-17)22-11-10-20(15-23-22)25-21-14-18-4-2-12-24(16-21)13-3-5-18/h6-11,15,18,21H,2-5,12-14,16H2,1H3.
What are the key properties of 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane?
3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane has a molecular weight of 336.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane is sourced from PubChem (CID 90214485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).